0 B14R2.8239 CC1Cc2cc(ccc2NC1=O)N DA-36597 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.8239 CN1Cc2cc(ccc2NC1=O)N DA-36598 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.8239 Cc1c(=O)[nH]c2ccc(cc2n1)Br DA-36443 [0,0,0,0,0,0|2,1,0]=3 3 B14R2.8239 Cc1cc2cc(ccc2[nH]c1=O)Br DA-36444 [0,0,0,0,0,0|1,1,0]=2 4 B14R2.8239 Cc1cc2cc(ccc2[nH]c1=O)N DA-36592 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.8239 Cc1ccc2c(c1)cc(c(=O)[nH]2)Br DA-23943 [0,0,0,0,0,0|2,0,0]=2 6 B14R2.8239 c1cc2c(cc1Br)CC(C(=O)N2)O DA-36459 [0,0,0,0,0,0|0,1,2]=3 7 B13R2.155 c1cc(cc2c1ccc(=O)o2)Cl DA-35728 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.155 c1cc(cc2c1ccc(n2)Cl)F DA-42426 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.155 c1cc2c(cc1Cl)cc(cn2)Br DA-23946 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.369 CN1Cc2ccccc2NC1=O DA-24729 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)O DA-24730 [1,0,0,0,0,0|0,0,2]=3 12 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)N DA-26664 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.369 c1cncc2c1cc(c(c2)Br)O DA-35756 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.3683 Cc1cc2ccc(=O)[nH]c2nc1 DA-36044 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N DA-36618 [1,0,0,0,0,0|1,0,0]=2 16 B13R2.3683 c1cc(=O)oc2c1cc(cc2)Cl DA-36326 [1,0,0,0,0,0|1,0,0]=2 17 B13R2.3683 c1cc(cc2c1cc(=O)[nH]c2)Br DA-35783 [1,0,0,0,0,0|2,1,0]=4 18 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Br DA-41385 [1,0,0,0,0,0|1,1,1]=4 19 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)O2 DA-36253 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.3683 c1cc2c(cc1F)cnc(=O)[nH]2 DA-36157 [1,0,0,0,0,0|1,1,0]=3 21 B13R2.3683 c1cc2c(cc1O)CNC(=O)N2 DA-40207 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.1754 c1cc(cc2c1cc(c(c2)O)C=O)O DA-42358 [0,1,0,0,0,0|2,0,0]=3 23 B15R2.63893 Cc1cc2cc(ccc2n(c1=O)C)N DA-36625 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.5190 c1cc2c(cc1Cl)CC(=O)C2=O DA-37634 [0,0,0,0,1,0|0,0,2]=3 25 B13R2.5190 c1cc2c(cc1O)CC(=O)C2=O DA-37304 [0,0,0,0,1,0|1,0,2]=4 26 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O DA-25737 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.43 c1cnccc1\C=C(\C(=O)O)/O DA-31830 [1,0,1,0,0,0|2,0,0]=4 28 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br DA-42342 [0,1,1,0,0,0|1,1,0]=4 29 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl DA-42480 [0,1,1,0,0,0|1,0,0]=3 30 B14R1.134 COC(=O)C(=O)Nc1ccc(cn1)Cl DA-42343 [0,1,1,0,0,0|2,0,0]=4 31 B14R2.4513 c1cc2c(cc1Cl)c(=O)c(co2)I DA-36305 [1,1,0,0,0,0|2,0,0]=4 32 B14R2.1128 CCc1cc2ccccc2[nH]c1=O DA-23649 [1,1,0,0,0,0|1,0,0]=3 33 B14R2.1128 COc1cc2ccccc2cc1Br DA-26892 [1,1,0,0,0,0|2,0,0]=4 34 B14R2.1128 c1cc2cc(c(=O)[nH]c2nc1)C#N DA-30325 [1,1,0,0,0,0|2,0,0]=4 35 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Cl DA-23712 [1,1,0,0,0,0|1,0,1]=4 36 B14R2.1128 c1ccc2cc(c(cc2c1)CN)O DA-25022 [1,1,0,0,0,0|2,0,0]=4 37 B14R2.8188 Cc1c2ccccc2[nH]c(=S)c1N DA-24278 [1,1,0,0,0,0|1,1,0]=4 38 B14R2.8188 Cn1c2ccccc2cc(c1=O)O DA-23575 [1,1,0,0,0,0|0,0,0]=2 39 B14R2.8188 Cn1c2ccccc2nc(c1=O)Cl DA-23863 [1,1,0,0,0,0|2,0,0]=4 40 B14R2.2332 c1cc(nc2c1cc(cc2)Cl)C=O DA-36315 [1,1,0,0,0,0|0,0,1]=3 41 B14R2.2332 c1cc2c(ccc(=O)[nH]2)cc1C=O DA-30319 [1,1,0,0,0,0|1,0,0]=3 42 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C=O DA-26407 [1,1,0,0,0,0|2,0,0]=4 43 B14R2.2332 c1cc2cc(ncc2cc1C=O)Cl DA-23734 [1,1,0,0,0,0|2,0,0]=4 44 B14R2.8235 c1cc(nc2c1cc(cc2Br)Cl)Cl DA-35500 [1,1,0,0,0,0|1,0,1]=4 45 B14R2.8235 c1cc2c(cc1N)c(cc(=O)[nH]2)O DA-36587 [1,1,0,0,0,0|1,0,0]=3 46 B14R2.29369 Cc1ccc2c(c1C)ccc(=O)[nH]2 DA-38241 [1,1,0,0,0,0|1,0,0]=3 47 B14R2.29369 c1cc(=O)[nH]c2c1c(c(cc2)Cl)Cl DA-38265 [1,1,0,0,0,0|0,0,0]=2 48 B14R2.8716 CN1c2ccc(cc2C(=O)C1=O)I DA-37292 [0,1,0,0,1,0|0,1,1]=4 49 B14R2.4217 c1cc2c(cc1Cl)[nH]c(c2C=O)Cl DA-27153 [0,1,0,0,1,0|2,0,0]=4 50 B16R2.23521 CC(=O)c1cc2cc(ccc2oc1=O)Cl DA-25583 [0,2,0,0,0,0|1,0,1]=4 51 B16R2.23521 c1cc2c(cc1Cl)cc(c(=O)[nH]2)[N+](=O)[O-] DA-36299 [0,2,0,0,0,0|0,0,1]=3 52 B16R2.3885 Cc1cc2cc(ccc2[nH]c1=O)[N+](=O)[O-] DA-23331 [0,2,0,0,0,0|2,0,0]=4 53 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)O DA-35589 [0,0,1,1,0,0|2,0,0]=4 54 B14R2.7969 c1c2c(c(ncn2)Cl)oc1C(=O)N DA-39550 [0,0,1,1,0,0|2,0,0]=4 55 B12R1.20 c1cc(ccc1C(=O)C(=O)O)Br DA-28287 [0,0,1,0,1,0|1,1,0]=4 56 B12R2.606 Cc1cc2cc(ccc2o1)Cl DA-37556 [1,0,0,0,1,0|2,0,0]=4 57 B12R2.18 c1ccc2c(c1)C(=O)C(=O)O2 DA-27457 [1,0,0,0,1,0|1,0,1]=4